6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[4-(4-fluorophenyl)piperazino]sulfonyl-4-keto-1H-quinoline-3-carboxylic acid Formula: C20H18FN3O5S MolecularWeight: 431.437423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

InChI

InChI=1S/C20H18FN3O5S/c21-13-1-3-14(4-2-13)23-7-9-24(10-8-23)30(28,29)15-5-6-18-16(11-15)19(25)17(12-22-18)20(26)27/h1-6,11-12H,7-10H2,(H,22,25)(H,26,27)